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What is the chemical structure of 2-ethylpyridine-4-carbothioamide?
2-ethylpyridine-4-carbothioamide is 2-ethylpyridine-4-thioformamide, and its chemical structure is as follows:
This compound has the parent structure of pyridine. Pyridine is a nitrogen-containing hexamembered heterocyclic compound with five carbon atoms and one nitrogen atom on the ring, which is aromatic.
At position 2 of the pyridine ring, there is an ethyl ($C_2H_5 - $) group attached. Ethyl is composed of two carbon atoms and five hydrogen atoms and is connected to the pyridine ring by a single bond.
In the fourth position of the pyridine ring, a thioformamide group ($-C (S) NH_2 $) is connected. The carbon atom is connected to the pyridine ring, the carbon atom is connected to the sulfur atom by a double bond, and the carbon atom is also connected to an amino group ($- NH_2 $). The sulfur atom in the thioformamide group replaces the position of the oxygen atom in the ordinary formamide group.
Overall, 2-ethylpyridine-4-thioformamide is composed of a pyridine ring as the core and forms a unique chemical structure by linking specific groups at different positions. The properties and interactions of these groups endow the compound with specific physical and chemical properties.
What are the physical properties of 2-ethylpyridine-4-carbothioamide?
2-Ethylpyridine-4-carbothioamide, that is, 2-ethylpyridine-4-thioformamide, the physical properties of this substance are as follows.
Looking at its morphology, under normal temperature and pressure, it is mostly in a solid state. Its color is usually white to off-white powder, with uniform appearance and fine texture.
The melting point is about 150-155 ° C. The melting point is the critical temperature at which a substance changes from a solid state to a liquid state. Within this temperature range, 2-ethylpyridine-4-thioformamide will undergo a phase change.
As for solubility, it exhibits certain characteristics in organic solvents. It is slightly soluble in common organic solvents such as ethanol and acetone. Ethanol, as a common organic solvent, has moderate polarity, and 2-ethylpyridine-4-thioformamide can be dissolved in ethanol in a small amount due to its own structure. The polarity and molecular structure of acetone also enable it to interact with 2-ethylpyridine-4-thioformamide to a certain extent, resulting in the slightly soluble state of the substance in acetone. However, the solubility of this substance in water is extremely poor. Due to the large proportion of hydrophobic parts in the molecular structure, it is difficult to form an effective interaction with water molecules, so it is difficult to dissolve in water.
Its density reflects the compactness of the substance to a certain extent, about 1.2 g/cm ³. The physical property of density is related to the relationship between the mass and volume of the substance in a specific environment, and is of great significance to its space occupied in practical applications and the proportion when mixed with other substances.
In addition, the stability of the substance is also an important physical property. Under normal storage conditions, it can be maintained in a relatively stable state in a dry, cool and well-ventilated place. However, if exposed to high temperatures, high humidity, or in contact with specific chemicals, its structure may change and its stability will be affected.
What are the common synthetic methods of 2-ethylpyridine-4-carbothioamide?
2-Ethylpyridine-4-carbothioamide, that is, 2-ethylpyridine-4-carbothioamide, is commonly synthesized as follows:
First, 2-ethylpyridine-4-carboxylic acid is used as the starting material. First, 2-ethylpyridine-4-carboxylic acid is co-heated with dichlorosulfoxide, which is a common means of converting carboxylic acid into acyl chloride. During the reaction of the two, the chlorine atom in the dichlorosulfoxide replaces the hydroxyl group in the carboxyl group to form 2-ethylpyridine-4-formyl chloride, and sulfur dioxide and hydrogen chloride gas escape at the same time. Subsequently, 2-ethylpyridine-4-formyl chloride is reacted with thiocyanate (such as potassium thiocyanate) in a suitable solvent (such as acetonitrile). In this process, the thiocyanate ion attacks the carbonyl carbon of the acyl chloride and undergoes a series of transformations to generate 2-ethylpyridine-4-carbothiamide.
Second, 2-ethyl-4-halopyridine is used as a raw material. If the halogen atom is bromine or chlorine, it can be reacted with magnesium metal first to make a Grignard reagent, that is, 2-ethyl-4-pyridine magnesium halide. This Grignard reagent is extremely reactive and can react with carbon disulfide to form sulfur-containing intermediates. After that, an aqueous solution of ammonium salts (such as ammonium chloride) is added to the system, and the intermediate product reacts with ammonium ions to finally form 2-ethylpyridine-4-carbothiamide.
Third, using 2-ethylpyridine as raw material, Vilsmeier-Haack reaction is carried out first. In a suitable solvent (such as dichloroethane), 2-ethylpyridine is reacted with N, N-dimethylformamide and phosphorus oxychloride, and formyl is introduced at the 4-position of pyridine to obtain 2-ethylpyridine-4-formaldehyde. The aldehyde is then reacted with thioamidation reagents (such as thioacetamide) under the catalysis of bases (such as potassium carbonate). Through a complex mechanism, the conversion of aldehyde group to carbothiamide group is realized to obtain the target product 2-ethylpyridine-4-carbothiamide.
In what areas is 2-ethylpyridine-4-carbothioamide applied?
2-Ethylpyridine-4-carbothioamide, which is 2-ethylpyridine-4-carbothioamide, is used in the fields of medicine, pesticides and materials science.
In the field of medicine, it can be used as an intermediate for drug synthesis. Due to its special chemical structure, it can participate in the construction of a variety of drug molecules. For example, in the preparation of some antibacterial and anti-inflammatory drugs, 2-ethylpyridine-4-carbothioamide can be combined with other compounds through specific chemical reactions to form new substances with specific pharmacological activities. Due to the presence of the pyridine ring and the sulfamide group, the molecule is endowed with unique electronic properties and spatial structure, which is conducive to interacting with targets in organisms, or blocking specific biological signaling pathways, or inhibiting the growth of pathogenic microorganisms, thereby exerting therapeutic effects.
In the field of pesticides, it can be used to create new pesticides. Because of its structural characteristics, it has biological activity against certain pests or pathogens. After modification and modification, high-efficiency, low-toxicity and environmentally friendly pesticide varieties can be developed. It can interfere with the nervous system of pests or inhibit the activities of key metabolic enzymes of pathogens, achieving the purpose of controlling pests and diseases, and helping to increase agricultural production and improve the quality of agricultural products.
In the field of materials science, 2-ethylpyridine-4-carbothiamide can be used as a raw material for the preparation of functional materials. By polymerizing or compounding with other organic or inorganic compounds, the material is endowed with special properties. For example, when preparing materials with optical and electrical properties, its participation can adjust the energy level structure and charge transport properties of the material, showing application potential in photoelectric materials, sensor materials, etc., providing the possibility for the development of high-performance new materials.
How safe is the 2-ethylpyridine-4-carbothioamide?
2-Ethylpyridine-4-carbothioamide, Chinese name 2-ethylpyridine-4-thioformamide, is related to personal safety and environmental conditions, and its safety needs to be carefully reviewed.
When it comes to toxicity, although there is no complete and conclusive study at present, it is analogous to chemicals with similar structures, or potential toxicity. If the human body comes into contact with it, it may endanger health through skin penetration, breathing and inhalation, or accidentally ingested. When the skin touches it, it may cause allergies, redness, swelling, itching, etc.; inhaling its dust or volatile gas, or damaging the respiratory tract, causing coughing, asthma, and even causing lung diseases; if accidentally ingested, it may cause gastrointestinal discomfort, such as nausea, vomiting, abdominal pain, etc.
In terms of the environment, after it enters the natural environment, the degradation process may be quite slow. In the soil, it may affect the soil and hinder plant growth; into the water body, or endanger aquatic organisms, disturbing the balance of aquatic ecology. And because it has certain chemical stability, or accumulates in the environment, it poses a long-term potential threat to the ecosystem.
To know its safety, more professional and systematic experimental studies are needed. In the laboratory, its impact on cells can be explored to clarify the toxicity mechanism; in environmental simulation experiments, its behavior and fate in different environmental media can be gained. In practical applications, its effects on human health and the environment should also be closely monitored. Only through these in-depth studies can we obtain comprehensive and accurate safety conclusions, providing a solid basis for proper use and risk prevention and control.